0  B18R1.463  COC1=C(C(=CC(=C1)C(=O)O)NS(=O)(=O)C)OC MCULE-1274451028 [0,1,0,0,0,0|2,0,0]=3
1  B15R1.5462  CS(=O)(=O)NC1=CC(=CC(=C1)C(=O)O)O MCULE-7603131657 [2,0,0,0,0,0|2,0,0]=4
2  B15R1.869  O=N(=O)C1=CC(=C(C=C1)O)OS(=O)(=O)O MCULE-5764089283 [2,0,0,0,0,0|1,0,1]=4
3  B15R1.393  COC1=C(C(=CC(=C1)C(=O)C)N(=O)=O)O MCULE-9458603890 [1,0,0,0,1,0|2,0,0]=4
4  B15R1.393  COC1=C(C(=CC(=C1)C(=O)O)N(=O)=O)C MCULE-6225907112 [1,0,0,0,1,0|2,0,0]=4
5  B15R1.393  COC1=C(C(=CC(=C1)C(=O)O)N(=O)=O)Cl MCULE-6920922273 [1,0,0,0,1,0|2,0,0]=4
6  B15R1.393  COC1=C(C(=CC(=C1)C(=O)O)N(=O)=O)O MCULE-7494527122 [1,0,0,0,1,0|1,0,0]=3
7  B15R1.393  COC1=CC(=CC(=C1N)N(=O)=O)C(=O)O MCULE-6835597330 [1,0,0,0,1,0|2,0,0]=4
8  B15R1.393  COC1=CC(=CC(=C1O)C(=O)O)C(=O)O MCULE-2486539577 [1,0,0,0,1,0|1,0,0]=3
9  B15R1.25457  CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)Cl)Br MCULE-1043919344 [1,0,0,0,1,0|2,0,0]=4
10  B15R1.25457  CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)Cl)C MCULE-7353680041 [1,0,0,0,1,0|2,0,0]=4
11  B15R1.25457  CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)Cl)Cl MCULE-5780418374 [1,0,0,0,1,0|2,0,0]=4
12  B15R1.25457  CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)Cl)F MCULE-5074721455 [1,0,0,0,1,0|2,0,0]=4
13  B15R1.25457  CC1=CC(=CC(=C1C)S(=O)(=O)N)C(=O)O MCULE-6771925419 [1,0,0,0,1,0|2,0,0]=4
14  B15R1.25457  O=C(O)C1=CC(=C(C(=C1)Cl)O)S(=O)(=O)Cl MCULE-4194284857 [1,0,0,0,1,0|2,0,0]=4
15  B14R1.362  COC1=CC(=CC(=C1O)OC)C(=O)O MCULE-6314465100 [3,0,0,0,0,0|1,0,0]=4
16  B16R1.415  COC1=C(C(=CC(=C1)C(=O)O)N(=O)=O)OC MCULE-4297237240 [1,1,0,0,1,0|1,0,0]=4
17  B16R1.517  COC(=O)C1=CC(=C(C(=C1)OC)O)N(=O)=O MCULE-8931157782 [1,1,0,0,1,0|1,0,0]=4
18  B16R1.52976  O=S(=O)(O)C1=CC(=C(C(=C1)O)O)S(=O)(=O)O MCULE-1464306754 [1,1,0,0,1,0|1,0,0]=4
19  B16R2.27449  O=C(O)C1=CC(=C2OCOC2=C1)N(=O)=O MCULE-2144216323 [1,0,0,1,1,0|1,0,0]=4
20  B14R1.345  COC1=CC(=CC(=C1)C(=O)O)C(=O)O MCULE-8846212787 [2,0,0,0,1,0|1,0,0]=4
21  B14R1.345  COC1=CC(=CC(=C1)C(=O)O)N(=O)=O MCULE-9437634846 [2,0,0,0,1,0|1,0,0]=4
22  B14R1.563  COC1=CC(=CC(=C1O)C(=O)O)C=O MCULE-3811081190 [2,0,0,0,1,0|1,0,0]=4
23  B14R1.563  COC1=CC(=CC(=C1O)N(=O)=O)C=O MCULE-5651002621 [2,0,0,0,1,0|1,0,0]=4
24  B14R1.14211  CC1=C(C(=CC(=C1)C(=O)O)N(=O)=O)O MCULE-3961530514 [2,0,0,0,1,0|1,0,0]=4
25  B14R1.14211  CC1=CC(=CC(=C1O)C(=O)O)C(=O)O MCULE-7483859772 [2,0,0,0,1,0|1,0,0]=4
26  B14R1.14211  O=C(O)C1=CC(=C(C(=C1)O)O)N(=O)=O MCULE-6070829851 [2,0,0,0,1,0|1,0,0]=4
27  B14R1.4254  CC1=CC(=CC(=C1)C(=O)O)S(=O)(=O)Cl MCULE-8787591610 [2,0,0,0,1,0|1,0,0]=4
28  B14R1.4254  CC1=CC(=CC(=C1)S(=O)(=O)N)C(=O)O MCULE-1068702467 [2,0,0,0,1,0|1,0,0]=4
29  B14R1.4254  NC1=CC(=CC(=C1)C(=O)O)S(=O)(=O)O MCULE-6612134263 [2,0,0,0,1,0|1,0,0]=4
30  B14R1.12  CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)O MCULE-7925235928 [2,0,0,0,1,0|1,0,0]=4
31  B14R1.12  O=C(O)C1=CC(=C(C=C1)O)S(=O)(=O)Cl MCULE-7487261812 [2,0,0,0,1,0|1,0,0]=4